SCHEMBL1928045

SCHEMBL1928045

NC(=O)Nc1sc(-c2ccc(OCC3CC3)cc2)cc1C(N)=O

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.82
IKBKB O14920 3/20 0.59
JAK2 O60674 2/20 0.59
MEN1 O00255 1/20 0.59
EIF2AK2 P19525 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
JAK3 P52333 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1929115 0.91 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL1927160 0.84 CHEK1 (0.64) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL1926957 0.80 CHEK1 (0.61) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL28782740 0.79 CHEK1 (0.76) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4089013 0.79 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4093829 0.79 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL1929626 0.78 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4087784 0.78 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL491021 0.77 CHEK1 (0.70) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2970682 0.77 CHEK1 (0.70) CHEK1IKBKBJAK2MEN1EIF2AK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US claimed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US claimed
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN claimed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US claimed
CN-1541214-A Novel compounds 2004-10-27 CN claimed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO claimed
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
WO-2008002246-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN IKK2 INHIBITOR AND A SECOND ACTIVE INGRDIENT. ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885IKBKB 3173/4885JAK2 166/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 CHEK1 3264/4885IKBKB 2989/4885JAK2 422/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 CHEK1 3163/4885IKBKB 3173/4885JAK2 166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.